Crystal structure of di-aqua-tris-(benzohydrazide-κ2 N, O)(isophthalato-κ O)samarium(III) nitrate

Chatphorn Theppitak; Filip Kielar; Kittipong Chainok

doi:10.1107/S2056989018015360

Crystal structure of di-aqua-tris-(benzohydrazide-κ² N, O)(isophthalato-κ O)samarium(III) nitrate

Acta Crystallogr E Crystallogr Commun. 2018 Nov 6;74(Pt 12):1691-1694. doi: 10.1107/S2056989018015360. eCollection 2018 Dec 1.

Authors

Chatphorn Theppitak¹, Filip Kielar², Kittipong Chainok³

Affiliations

¹ Division of Chemistry, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.
² Department of Chemistry, Faculty of Science, Naresuan University, Muang, Phitsanulok, 65000, Thailand.
³ Materials and Textile Technology, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.

Abstract

The first benzohydrazide complex of a lanthanide is reported. In the title compound, [Sm(C₈H₄O₄)(C₇H₈N₂O)₃(H₂O)₂]NO₃, systematic name di-aqua-tris-(benzohydrazide-κ² N,O)(isophthalato-κO)samarium(III) nitrate, the Sm^III ion is nine-coordinated in a distorted tricapped trigonal-prismatic geometry by three oxygen atoms and three nitro-gen atoms from three benzhydrazide (bzz) ligands, one oxygen atom from the isophthalate (itp^2-) ligand, and two oxygen atoms from coordinated water mol-ecules. The nitrate group is disordered over two sets of sites with occupancy factors of 0.310 (17) and 0.690 (17). In the crystal, adjacent mol-ecules are linked into chains via pairs of O-H⋯O and N-H⋯O hydrogen bonds between the carboxyl-ate acceptor and the coordinated water and amine NH₂ donors. Mol-ecules are further stacked by π-π inter-actions involving the benzene ring of the itp^2- ligands, forming double chains that extend in the b-axis direction. These double chains are further linked into a three-dimensional supra-molecular network via hydrogen bonds (O-H⋯O, N-H⋯O and C-H⋯O) between the complex mol-ecule and the nitrate groups along with C-H⋯π and π-π inter-actions involving the benzene rings of the bzz and itp^2- ligands.

Keywords: crystal structure; hydrogen bonds; lanthanide; samarium(III).

Grants and funding

This work was funded by The NRCT and administered by the Division of Research Administration at Thammasat University grant 25/2560. Thailand Research Fund grant RTA6180007.